element(s):
['Al']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.039']
model name:
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:42      -13.438860         0.067710
BFGS:    1 16:12:43      -13.439048         0.061606
BFGS:    2 16:12:43      -13.439960         0.000992
BFGS:    3 16:12:43      -13.439960         0.000017
BFGS:    4 16:12:43      -13.439960         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.000538941310302e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.04999888614071, 1.6074469789130366e-32, -1.4166647149184697e-33], [1.463219711776921e-32, 4.04999888614071, -2.1873548196197726e-18], [-6.652049804993914e-35, -2.1873548196197726e-18, 4.04999888614071]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.00053894e-10 -3.00053894e-10 -3.00053894e-10  1.02091270e-26
  2.93542296e-36 -1.07607207e-52]
energy per atom =  -3.359989957384304
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0